2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide

C22H20N2O3S — CID 2122677

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-16(25)23-17-11-13-19(14-12-17)28-15-22(26)24-20-9-5-6-10-21(20)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyALWKHOGBVPRWIK-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.17
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide (PubChem CID 2122677) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
PubChem CID2122677
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-16(25)23-17-11-13-19(14-12-17)28-15-22(26)24-20-9-5-6-10-21(20)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyALWKHOGBVPRWIK-UHFFFAOYSA-N
XLogP5.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide (CID 2122677) is 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The InChIKey is ALWKHOGBVPRWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-16(25)23-17-11-13-19(14-12-17)28-15-22(26)24-20-9-5-6-10-21(20)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 2122677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).